Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening
Author:
Affiliation:
1. INRIA Nancy, LORIA, 615 rue du Jardin Botanique, 54600 Villers-lès-Nancy, France
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci100492r
Reference51 articles.
1. Comparison of Shape-Matching and Docking as Virtual Screening Tools
2. How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information
3. Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening
4. Comparison of the Potential Multiple Binding Modes of Bicyclam, Monocylam, and Noncyclam Small-Molecule CXC Chemokine Receptor 4 Inhibitors
5. Prediction of Multiple Binding Modes of the CDK2 Inhibitors, Anilinopyrazoles, Using the Automated Docking Programs GOLD, FlexX, and LigandFit: An Evaluation of Performance
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